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151858

Sigma-Aldrich

Chloroform-d

"100%", 99.96 atom % D

Synonym(s):

Deuterochloroform

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About This Item

Linear Formula:
CDCl3
CAS Number:
Molecular Weight:
120.38
Beilstein/REAXYS Number:
1697633
EC Number:
MDL number:
UNSPSC Code:
12142201
PubChem Substance ID:
NACRES:
NA.21

Quality Level

isotopic purity

99.96 atom % D

assay

≥99% (CP)

form

liquid

technique(s)

NMR: suitable

refractive index

n20/D 1.444 (lit.)

bp

60.9 °C (lit.)

mp

−64 °C (lit.)

density

1.500 g/mL at 25 °C (lit.)

mass shift

M+1

SMILES string

[2H]C(Cl)(Cl)Cl

InChI

1S/CHCl3/c2-1(3)4/h1H/i1D

InChI key

HEDRZPFGACZZDS-MICDWDOJSA-N

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General description

Chloroform-d (Deuterochloroform, CDCl3), deuterated chloroform, is a 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Quantitaive infrared spectral investigations of carbon-deuterium stretching bands of chloroform-d in various organic solvents have been reported. Raman difference spectroscopic studies of mixtures of chloroform-d and liquid chloroform have been conducted to evaluate frequency shifts in the in the ν1 and ν2 bands of CHCl3 and CDCl3.

Application


  • Diphenylpyrrole-Strapped Calix[4]pyrrole Extractant for the Fluoride and Chloride Anions.: This study describes the development and application of a diphenylpyrrole-strapped calix[4]pyrrole as an effective extractant for fluoride and chloride anions, using Chloroform-d as a key solvent in its synthesis (Jung Heo N et al., 2023).

  • A simple protocol for determination of enantiopurity of amines using BINOL derivatives as chiral solvating agents via (1)H- and (19)F-NMR spectroscopic analysis.: This research outlines a protocol utilizing Chloroform-d for the NMR spectroscopic analysis of amines′ enantiopurity, highlighting its role in enhancing spectral quality and resolution (Chaudhary P et al., 2022).

  • Thermal oxidation stability of different multi-element oleogels via (1)H NMR spectroscopy.: Investigates the thermal oxidation stability of various oleogels, using Chloroform-d in the spectroscopic analysis to assess stability parameters (Qiu H et al., 2022).

  • Solvation of the Boc-Val-Phe-nPr peptide characterized by VCD spectroscopy and DFT calculations.: Explores solvation effects on a peptide′s structure, employing Chloroform-d as a solvent to determine its impact on peptide behavior in solution (Scholten K et al., 2022).

  • A straightforward catalytic approach to obtain deuterated chloroform at room temperature.: Discusses a novel method for producing Chloroform-d at room temperature, showcasing its practical applications in spectroscopic analysis and chemical synthesis (Higuera-Padilla AR et al., 2020).

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pictograms

Skull and crossbonesHealth hazard

signalword

Danger

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 1 Oral - STOT SE 3

target_organs

Central nervous system, Liver,Kidney

wgk_germany

WGK 3

ppe

Eyeshields, Faceshields, Gloves


Certificates of Analysis (COA)

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Daewoo Suh et al.
Nature communications, 11(1), 2252-2252 (2020-05-10)
Healable conductive materials have received considerable attention. However, their practical applications are impeded by low electrical conductivity and irreversible degradation after breaking/healing cycles. Here we report a highly conductive completely reversible electron tunneling-assisted percolation network of silver nanosatellite particles for
Quantitative Study of the Bonding of Chloroform-d in Various Solvents by Infrared Spectrometry1.
Lord RC, et al.
Journal of the American Chemical Society, 77(5), 1365-1368 (1955)
Isotopic dilution studies of the chloroform-chloroform-d system by Raman difference spectroscopy.
Laane J and Kiefer W.
J. Chem. Phys. , 73(10), 4971-4975 (1980)
Infrared Intensity of the C-D Stretch of Chloroform-d in Various Solvents.
Huggins CM and Pimentel GC.
J. Chem. Phys., 23(5), 896-898 (1955)
Sanna L Diemer et al.
International journal of molecular sciences, 16(9), 21858-21872 (2015-09-18)
Dynamic combinatorial chemistry has emerged as a promising tool for the discovery of complex receptors in supramolecular chemistry. At the heart of dynamic combinatorial chemistry are the reversible reactions that enable the exchange of building blocks between library members in

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